SCHEMBL21114064

SCHEMBL21114064

CCNCCCCCCOc1ccc(-c2nn(C)c3cc(Br)ccc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.45
PDE2A O00408 3/20 0.37
ESR1 P03372 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RORC P51449 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21114187 0.90 LSS (0.47) LSSPDE2AESR1KDM4ERORC
SCHEMBL21114155 0.88 LSS (0.42) LSSPDE2AESR1KDM4ERORC
SCHEMBL21114106 0.88 BCHE (0.46) LSSKDM4EDRD4ALDH1A1MAPT
SCHEMBL21113992 0.87 LSS (0.48) LSSPDE2AESR1RORCSLC6A4
SCHEMBL21113936 0.86 LSS (0.48) LSSPDE2AESR1RORCSLC6A4
SCHEMBL21113916 0.86 LSS (0.44) LSSPDE2AESR1KDM4ERORC
SCHEMBL21114071 0.86 LSS (0.43) LSSPDE2AESR1KDM4ESLC6A4
SCHEMBL21114027 0.85 LSS (0.42) LSSPDE2AESR1KDM4ERORC
SCHEMBL21114116 0.85 LSS (0.55) LSSPDE2AKDM4EALDH1A1MAPT
SCHEMBL21113971 0.83 LSS (0.45) LSSPDE2AESR1RORCMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 LSS 438/4885PDE2A 106/4885ESR1 4783/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.